N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C18H16FNO3 — CID 2603906

IUPACN-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C18H16FNO3/c1-22-11-15-14-4-2-3-5-16(14)23-17(15)18(21)20-10-12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyFNJSHIDCKNVUCZ-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.65
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 2603906) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID2603906
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C18H16FNO3/c1-22-11-15-14-4-2-3-5-16(14)23-17(15)18(21)20-10-12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyFNJSHIDCKNVUCZ-UHFFFAOYSA-N
XLogP3.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8948223
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 31515588
2-[2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241326
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55764550

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 2603906) is N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCc2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is FNJSHIDCKNVUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-22-11-15-14-4-2-3-5-16(14)23-17(15)18(21)20-10-12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2603906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).